SCHEMBL13633591

SCHEMBL13633591

Cc1ccc(-n2c(C(C)N3CCN(C(=O)COc4ccccc4)CC3)nc3ccccc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 3/20 0.64
VDAC2 P45880 1/20 0.64
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27256091 0.92 SLC7A11 (0.73) SLC7A11VDAC2KCNH2HRH3ALDH1A1
SCHEMBL13998015 0.89 SLC7A11 (0.79) SLC7A11VDAC2KCNH2HRH3ALDH1A1
SCHEMBL25793246 0.86 SLC7A11 (0.87) SLC7A11VDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13633616 0.84 SLC7A11 (0.77) SLC7A11VDAC2ALDH1A1KMT2AMEN1
SCHEMBL13633718 0.83 SLC7A11 (0.89) SLC7A11VDAC2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL6227669 0.83 VDAC2 (0.62) SLC7A11VDAC2KCNH2HRH3ALDH1A1
SCHEMBL13633653 0.82 VDAC2 (0.60) SLC7A11VDAC2KCNH2HRH3ALDH1A1
SCHEMBL27256099 0.82 VDAC2 (0.55) SLC7A11VDAC2KCNH2HRH3ALDH1A1
SCHEMBL27256089 0.82 VDAC2 (0.54) SLC7A11VDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL4457851 0.81 SLC7A11 (0.82) SLC7A11VDAC2ALDH1A1SMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-8518959-B2 Quinoxaline derivatives as antitumor agents PROLEXYS PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8518959-B2 Quinoxaline derivatives as antitumor agents PROLEXYS PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-7615554-B2 Erastin and erastin binding proteins, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents PROLEXYS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 SLC7A11 1250/4885VDAC2 3980/4885KCNH2 4019/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 SLC7A11 906/4885VDAC2 553/4885KCNH2 4368/4885
US-20090214465-A1 Quinoxaline Derivatives as Antitumor Agents VDAC3, VDAC2, VDAC1 SLC7A11 565/4885VDAC2 2/4885KCNH2 1363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.